N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(phenylmethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(phenylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-methoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(phenylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-methoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-methoxy-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=NN=C(S3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N(CC2=CC=CC=C2)C3=NN=C(S3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O2S/c1-32-23-9-5-8-22(13-23)24(31)30(17-18-6-3-2-4-7-18)26-29-28-25(33-26)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3